SCHEMBL8810641

SCHEMBL8810641

COc1cccc(Cn2cc(C=C3NC(=O)SC3=O)c3ccccc32)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.58
ABCC2 Q92887 1/20 0.54
POLB P06746 2/20 0.50
MAPT P10636 2/20 0.48
SIRT1 Q96EB6 1/20 0.45
SIRT5 Q9NXA8 1/20 0.45
CSNK2A2 P19784 1/20 0.44
CLK1 P49759 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44
DYRK1A Q13627 1/20 0.44
DYRK2 Q92630 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8809369 0.89 SLC2A1 (0.46) PARP1ABCC2POLBMAPTCSNK2A2
SCHEMBL8690307 0.89 PARP1 (0.74) PARP1ABCC2POLBMAPTSIRT1
SCHEMBL8810629 0.89 PARP1 (0.74) PARP1ABCC2POLBMAPTSIRT1
SCHEMBL8809776 0.87 PARP1 (0.64) PARP1POLBMAPTSIRT1SIRT5
SCHEMBL8685538 0.86 PARP1 (0.63) PARP1POLBMAPTSIRT1SIRT5
SCHEMBL8812789 0.85 SMN1; SMN2 (0.62) PARP1POLBMAPTSIRT1SIRT5
SCHEMBL8809356 0.83 PARP1 (0.79) PARP1POLBMAPTSIRT1SIRT5
SCHEMBL8811262 0.83 PARP1 (0.58) PARP1POLBSIRT1SIRT5LMNA
SCHEMBL8810078 0.82 CSNK2A2 (0.45) PARP1ABCC2CSNK2A2CLK1CSNK2B
SCHEMBL8810237 0.81 PARP1 (0.61) PARP1POLBMAPTSIRT1SIRT5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0780389-A1 Thiazolidinedione derivatives, process for their preparation and pharmaceutical compositions containing them TOBISHI PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP disclosed